SCHEMBL11039178

SCHEMBL11039178

CC1(C)Cc2cccc(NNS(=O)(=O)O)c2O1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
PKM P14618 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.40
NPC1 O15118 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10682541 0.77 LMNA (0.55) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL3331291 0.76 LMNA (0.52) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL10741295 0.75 POLB (0.56) LMNAALDH1A1MAPTPKMNPSR1
Bicarbonate SCHEMBL10766647 0.74 LMNA (0.52) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL675157 0.73 LMNA (0.58) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL11077728 0.72 PARP1 (0.46) MAPTNPSR1
SCHEMBL11039174 0.69 LMNA (0.44) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL5368528 0.69 LMNA (0.53) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL18536181 0.69 ALDH1A1 (0.49) LMNAALDH1A1MAPTPKMNPSR1
SCHEMBL5961698 0.69 LMNA (0.51) LMNAALDH1A1MAPTPKMNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048040-B1 7-SUBSTITUTED 2,3-DIHYDROBENZOFURANS, THEIR PREPARATION AND THEIR USE AS PESTICIDES OR AS CHEMICAL INTERMEDIATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-08-29 EP disclosed
US-4467104-A Esters of 2-(2-chlorocarbonyl)-2-(2,3-dihydro-2-alkylbenzofuran-7-yl)-hydrazinecarboxylic acid SHELL OIL COMPANY (US) 1984-08-21 US disclosed
US-4406910-A INSECTICIDES, MITICIDES SHELL OIL COMPANY (US) 1983-09-27 US disclosed
EP-0048040-A1 7-Substituted 2,3-dihydrobenzofurans, their preparation and their use as pesticides or as chemical intermediates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-03-24 EP disclosed